ethyl 1-(1-ethylbenzotriazol-5-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-ethylbenzotriazol-5-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(1-ethylbenzotriazole-5-carbonyl)isonipecotic acid ethyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N=N1

InChI

InChI=1S/C17H22N4O3/c1-3-21-15-6-5-13(11-14(15)18-19-21)16(22)20-9-7-12(8-10-20)17(23)24-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3